Modeling of the structure and forecasting properties of dihydroquercetin derivatives.

Assyl K Boshkayeva R A Omarova S K Ordabayeva A D Serikbayeva G G Umurzakhova A J Massakbayev

Published in: Drug development and industrial pharmacy (2022)

Calculation of the enthalpies of formation of model molecules allowed evaluating their thermodynamic stability. An analysis of the electric dipole moments made a possibility to determine the preferred (polar) nature of the solvents for the studied model molecular systems.

Keyphrases

ionic liquid
monte carlo